3-butyl-4,5-diphenyl-1,3-thiazole-2-thione

C19H19NS2 — CID 3470648

IUPAC3-butyl-4,5-diphenyl-1,3-thiazole-2-thione
SMILESCCCCn1c(-c2ccccc2)c(-c2ccccc2)sc1=S
InChIInChI=1S/C19H19NS2/c1-2-3-14-20-17(15-10-6-4-7-11-15)18(22-19(20)21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyXPTDJBBLSRWHSE-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.41
Rot. Bonds5

About 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione

3-butyl-4,5-diphenyl-1,3-thiazole-2-thione (PubChem CID 3470648) has the molecular formula C19H19NS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-butyl-4,5-diphenyl-1,3-thiazole-2-thione
PubChem CID3470648
Molecular FormulaC19H19NS2
Molecular Weight325.50 g/mol
Exact Mass325.10
IUPAC Name3-butyl-4,5-diphenyl-1,3-thiazole-2-thione
SMILESCCCCn1c(-c2ccccc2)c(-c2ccccc2)sc1=S
InChIInChI=1S/C19H19NS2/c1-2-3-14-20-17(15-10-6-4-7-11-15)18(22-19(20)21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyXPTDJBBLSRWHSE-UHFFFAOYSA-N
XLogP6.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-2,5-dimethyl-6-phenylthieno[2,3-d]pyrimidine-4-thione
CID 110172551
3-hexyl-4-phenyl-1,3-thiazole-2-thione
CID 118667967
5-butyl-1,3-diphenylthieno[3,4-c]pyrrole-4,6-dione
CID 102432668
1-butyl-3-nitroso-2-phenylindole
CID 155676886
4-(1-butyl-4-methyl-5-phenylpyrrol-2-yl)morpholine
CID 12669814
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
3-[2-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)ethyl]-6-phenyl-2-sulfanylidene-1,3-thiazin-4-one
CID 132506893
3-hydroxy-4-methyl-5-phenyl-1,3-thiazole-2-thione
CID 102410853
2-(1-butyl-2-methyl-4,5-diphenylpyrrol-3-yl)acetic acid
CID 10066284
1-butyl-3-phenyl-4,5-bis(sulfanyl)imidazole-2-thione
CID 169074234
6-butyl-5-methyl-7-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 21496072
1-benzyl-3-butyl-2,4,5-triphenylimidazol-1-ium bromide
CID 122623656

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione?
The IUPAC name of 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione (CID 3470648) is 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione is CCCCn1c(-c2ccccc2)c(-c2ccccc2)sc1=S.
What is the InChIKey of 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione?
The InChIKey is XPTDJBBLSRWHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS2/c1-2-3-14-20-17(15-10-6-4-7-11-15)18(22-19(20)21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione?
3-butyl-4,5-diphenyl-1,3-thiazole-2-thione has a molecular weight of 325.50 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4,5-diphenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 3470648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).